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5ZZS
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BU of 5zzs by Molmil
The crystal structure of Mandelate oxidase with benzoic acid
分子名称: 4-hydroxymandelate oxidase, BENZOIC ACID, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-04
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
5ZZY
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BU of 5zzy by Molmil
The crystal structure of Mandelate oxidase mutant Y128F with L-Lactate
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-04
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
3DER
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BU of 3der by Molmil
Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Lys dipeptide
分子名称: ALANINE, LYSINE, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
登録日2008-06-10
公開日2008-11-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
4P0G
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BU of 4p0g by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with bulgecin and muropeptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, CHLORIDE ION, ...
著者Redden, E, Thunnissen, A.M.W.H.
登録日2014-02-21
公開日2015-03-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of MltF from Pseudomonas aeruginosa complexed with bulgecin and muropeptide
To Be Published
7P2Z
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Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4
分子名称: (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
登録日2021-07-06
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
3DN1
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BU of 3dn1 by Molmil
Chloropentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
分子名称: 1-chloro-2,3,4,5,6-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2008-07-01
公開日2008-11-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
6A01
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BU of 6a01 by Molmil
The crystal structure of Mandelate oxidase Y128F with 3,3-difluoro-2,2-dihydroxy-3-phenylpropionic acid
分子名称: 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-05
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
2GH4
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BU of 2gh4 by Molmil
YteR/D143N/dGalA-Rha
分子名称: 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-2)-alpha-L-rhamnopyranose, Putative glycosyl hydrolase yteR
著者Itoh, T, Ochiai, A, Mikami, B, Hashimoto, W, Murata, K.
登録日2006-03-25
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of unsaturated rhamnogalacturonyl hydrolase complexed with substrate
Biochem.Biophys.Res.Commun., 347, 2006
6A0G
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BU of 6a0g by Molmil
The crystal structure of Mandelate oxidase mutant Y128F with b-Phenyllactate
分子名称: 4-hydroxymandelate oxidase, ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-05
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
4OXV
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BU of 4oxv by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with valine
分子名称: Membrane-bound lytic murein transglycosylase F, VALINE
著者Reddem, E, Thunnissen, A.M.W.H.
登録日2014-02-07
公開日2015-03-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of MltF from Pseudomonas aeruginosa complexed with valine
To Be Published
6DHK
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BU of 6dhk by Molmil
Bovine glutamate dehydrogenase complexed with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial
著者Smith, T.J.
登録日2018-05-20
公開日2018-07-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation.
Biochemistry, 42, 2003
5XCA
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BU of 5xca by Molmil
Crystal structure of GH45 endoglucanase EG27II D137A mutant in complex with cellobiose
分子名称: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
登録日2017-03-22
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XDH
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BU of 5xdh by Molmil
His/DOPA ligated cytochrome c from an anammox organism KSU-1
分子名称: ACETATE ION, HEME C, Putative cytochrome c, ...
著者Hira, D, Kitamura, R, Nakamura, T, Yamagata, Y, Furukawa, K, Fujii, T.
登録日2017-03-28
公開日2018-03-28
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Anammox Organism KSU-1 Expresses a Novel His/DOPA Ligated Cytochrome c.
J. Mol. Biol., 430, 2018
6HM9
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BU of 6hm9 by Molmil
Crystal structure of a BA3943 mutant,a CE4 family pseudoenzyme with restored enzymatic activity.
分子名称: ACETATE ION, Putative polysaccharide deacetylase, SULFATE ION
著者Molfetas, A, Tomatsidou, A, Kokkinidis, M.
登録日2018-09-12
公開日2019-10-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.71311 Å)
主引用文献The resurrection of a dead enzyme.
To Be Published
2QFV
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BU of 2qfv by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with NADP(+)
分子名称: Isocitrate dehydrogenase [NADP], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Peng, Y.J, Ding, J.P.
登録日2007-06-28
公開日2008-07-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008
5XBX
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BU of 5xbx by Molmil
Crystal structure of GH45 endoglucanase EG27II in complex with cellobiose
分子名称: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
登録日2017-03-21
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
6A19
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BU of 6a19 by Molmil
Mandelate oxidase mutant-Y128F with Benzoylformic acid
分子名称: 4-hydroxymandelate oxidase, BENZOYL-FORMIC ACID, FLAVIN MONONUCLEOTIDE
著者Li, T.L, Lin, K.H.
登録日2018-06-06
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
6DQG
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BU of 6dqg by Molmil
Human glutamate dehydrogenase, H454Y mutant
分子名称: Glutamate dehydrogenase 1, mitochondrial, PHOSPHATE ION
著者Smith, T.J.
登録日2018-06-10
公開日2018-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Glutamate dehydrogenase: Structure of a hyperinsulinism mutant, corrections to the atomic model, and insights into a regulatory site.
Proteins, 87, 2019
7P2S
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BU of 7p2s by Molmil
Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative
分子名称: 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
6A39
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The crystal structure of Mandelate oxidase Y128F with C4a-Malic acid-monooxide-FMN adduct
分子名称: (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid, 4-hydroxymandelate oxidase
著者Li, T.L, Lin, K.H.
登録日2018-06-15
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The crystal structure of Mandelate oxidase mutant Y128F with C4a-Malic acid-monooxide-FMN adduct
To Be Published
5XDC
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BU of 5xdc by Molmil
Crystal structure of Indole-bound TdsC from Paenibacillus sp. A11-2
分子名称: GLYCEROL, INDOLE, SULFATE ION, ...
著者Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S.
登録日2017-03-28
公開日2017-08-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5785 Å)
主引用文献Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
J. Biol. Chem., 292, 2017
5ZTY
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BU of 5zty by Molmil
Crystal structure of human G protein coupled receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, X.T, Hua, T, Wu, L.J, Liu, Z.J.
登録日2018-05-05
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Human Cannabinoid Receptor CB2
Cell, 176, 2019
7ULY
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BU of 7uly by Molmil
MicroED structure of triclinic lysozyme
分子名称: Lysozyme C, NITRATE ION
著者Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Gonen, T.
登録日2022-04-05
公開日2023-03-15
実験手法ELECTRON CRYSTALLOGRAPHY (0.87 Å)
主引用文献Hydrogens and hydrogen-bond networks in macromolecular MicroED data.
J Struct Biol X, 6, 2022
2GDX
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BU of 2gdx by Molmil
Solution structure of the B. brevis TycC3-PCP in H-state
分子名称: Tyrocidine synthetase III
著者Koglin, A, Loehr, F, Rogov, V.V, Marahiel, M.A, Bernhard, F, Doetsch, V.
登録日2006-03-17
公開日2006-08-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Conformational switches modulate protein interactions in peptide antibiotic synthetases
Science, 312, 2006
7P85
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Engineered phosphotriesterase BdPTE 10-2-C3(C59V/C227V) in complex with ethyl-4-methylbenzylphosphonate
分子名称: FORMIC ACID, GLYCEROL, Parathion hydrolase, ...
著者Eichinger, A, Skerra, A.
登録日2021-07-21
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural and Functional Analysis of a Highly Active Designed Phosphotriesterase for the Detoxification of Organophosphate Nerve Agents Reveals an Unpredicted Conformation of the Active Site Loop.
Biochemistry, 62, 2023

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